5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide

C12H10N4O2 — CID 70964361

IUPAC5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(-n2nnc3ccccc32)o1
InChIInChI=1S/C12H10N4O2/c1-13-12(17)10-6-7-11(18-10)16-9-5-3-2-4-8(9)14-15-16/h2-7H,1H3,(H,13,17)
InChIKeyNRWPHVZFEPVOEG-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.37
Rot. Bonds2

About 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide

5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide (PubChem CID 70964361) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide
PubChem CID70964361
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(-n2nnc3ccccc32)o1
InChIInChI=1S/C12H10N4O2/c1-13-12(17)10-6-7-11(18-10)16-9-5-3-2-4-8(9)14-15-16/h2-7H,1H3,(H,13,17)
InChIKeyNRWPHVZFEPVOEG-UHFFFAOYSA-N
XLogP1.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570
Furan-2-carboxylic acid (4-benzotriazol-1-ylmethyl-phenyl)-amide
CID 645142
N-(furan-2-ylmethyl)benzotriazole-1-carboxamide
CID 58271154
[4-(5-Fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 1469825
N-(benzotriazol-1-ylmethyl)furan-2-carboxamide
CID 3726311
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 133749466
N-(2,1,3-benzothiadiazol-4-yl)-5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxamide
CID 166386467
1-(5-nitro-2-furoyl)-1H-1,2,3-benzotriazole
CID 840000
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 16671577
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 16671617

Frequently Asked Questions

What is the IUPAC name of 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide (CID 70964361) is 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(-n2nnc3ccccc32)o1.
What is the InChIKey of 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide?
The InChIKey is NRWPHVZFEPVOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-13-12(17)10-6-7-11(18-10)16-9-5-3-2-4-8(9)14-15-16/h2-7H,1H3,(H,13,17).
What are the key properties of 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide?
5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-1-yl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 70964361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).